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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'carbone' and Initial = 'v'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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1.05E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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1.10E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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1.77E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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1.79E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ALR2


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat ALR2 aldose reductase


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM50038843
PNG
((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)
Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1


Bioorg Med Chem 17: 1244-50 (2009)


Article DOI: 10.1016/j.bmc.2008.12.024
BindingDB Entry DOI: 10.7270/Q20Z734Z
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50089423
PNG
((2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-...)
Show SMILES NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat ALR2 aldose reductase


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat ALR2 aldose reductase


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member A1


(Homo sapiens (Human))
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ALR1 Aldehyde reductase using DL-glyceraldehyde


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ALR2


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 2.19E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1


Bioorg Med Chem 17: 1244-50 (2009)


Article DOI: 10.1016/j.bmc.2008.12.024
BindingDB Entry DOI: 10.7270/Q20Z734Z
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM50213307
PNG
(CHEMBL396176 | [(5Z)-5-{[3-(carboxymethoxy)-4-meth...)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O
Show InChI InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5-
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n/an/a 5.40E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry


Eur J Med Chem 45: 1140-5 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.019
BindingDB Entry DOI: 10.7270/Q27081KV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member A1


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ALR1 Aldehyde reductase using DL-glyceraldehyde


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM26269
PNG
(3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...)
Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1


Bioorg Med Chem 17: 1244-50 (2009)


Article DOI: 10.1016/j.bmc.2008.12.024
BindingDB Entry DOI: 10.7270/Q20Z734Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM50089423
PNG
((2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-...)
Show SMILES NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde


J Med Chem 48: 5536-42 (2005)


Article DOI: 10.1021/jm050412o
BindingDB Entry DOI: 10.7270/Q2K35T6F
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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n/an/a 1.82E+4n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM50312535
PNG
(CHEMBL1076861 | [5-(3-hydroxy-4-methoxybenzylidene...)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1O
Show InChI InChI=1S/C13H11NO6S/c1-20-9-3-2-7(4-8(9)15)5-10-12(18)14(6-11(16)17)13(19)21-10/h2-5,15H,6H2,1H3,(H,16,17)/b10-5-
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n/an/a 3.70E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry


Eur J Med Chem 45: 1140-5 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.019
BindingDB Entry DOI: 10.7270/Q27081KV
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Sus scrofa)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 3.84E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1


Bioorg Med Chem 17: 1244-50 (2009)


Article DOI: 10.1016/j.bmc.2008.12.024
BindingDB Entry DOI: 10.7270/Q20Z734Z
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478791
PNG
(CHEMBL477933)
Show SMILES CN1CCc2[nH]c3ccc(CC([O-])=O)cc3c2C1
Show InChI InChI=1S/C14H16N2O2/c1-16-5-4-13-11(8-16)10-6-9(7-14(17)18)2-3-12(10)15-13/h2-3,6,15H,4-5,7-8H2,1H3,(H,17,18)/p-1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478793
PNG
(CHEMBL479175)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#6]-[#7](-[#6]-c3ccccc3)-[#6][C@@]1([H])c1cc(-[#6]-[#6](-[#8-])=O)ccc1-[#7]2 |r|
Show InChI InChI=1S/C20H22N2O2.Na/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14;/h1-7,10,17,19,21H,8-9,11-13H2,(H,23,24);/q;+1/p-1/t17-,19-;/m0./s1
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n/an/a 2.66E+5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478796
PNG
(CHEMBL479174)
Show SMILES [K;v0+].[H][C@]12[#6]-[#6]-[#7](-[#6])-[#6][C@@]1([H])c1cc(-[#6]-[#6](-[#8-])=O)ccc1-[#7]2 |r|
Show InChI InChI=1S/C14H18N2O2.K/c1-16-5-4-13-11(8-16)10-6-9(7-14(17)18)2-3-12(10)15-13;/h2-3,6,11,13,15H,4-5,7-8H2,1H3,(H,17,18);/q;+1/p-1/t11-,13-;/m0./s1
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n/an/a 3.81E+5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478792
PNG
(stobadine)
Show SMILES [H][C@@]12CCN(C)C[C@]1([H])c1cc(C)ccc1N2 |r|
Show InChI InChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3/t11-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478797
PNG
(DEHYDROSTOBADINE)
Show SMILES CN1CCc2[nH]c3ccc(C)cc3c2C1
Show InChI InChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,14H,5-6,8H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair